NQP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N4 | sing | 1.47Å | 1.47Å | |
| O4 | C28 | sing | 1.43Å | 1.42Å | |
| O4 | C27 | sing | 1.43Å | 1.42Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C19 | N4 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| N4 | C17 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C20 | C15 | sing | 1.53Å | 1.52Å | |
| C29 | C25 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | N3 | sing | 1.46Å | 1.46Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| O2 | C14 | doub | 1.22Å | 1.23Å | |
| C25 | N6 | sing | 1.47Å | 1.49Å | |
| C14 | N3 | sing | 1.35Å | 1.34Å | |
| C14 | C13 | sing | 1.48Å | 1.50Å | |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | N6 | sing | 1.46Å | 1.47Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C1 | sing | 1.51Å | 1.51Å | |
| N6 | C24 | sing | 1.39Å | 1.39Å | |
| C13 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.37Å | |
| C24 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| C24 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| N5 | C9 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | N2 | sing | 1.39Å | 1.41Å | |
| C22 | O3 | sing | 1.36Å | 1.37Å | |
| N1 | C6 | sing | 1.40Å | 1.42Å | |
| N1 | C2 | sing | 1.46Å | 1.48Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | N2 | sing | 1.39Å | 1.38Å | |
| C9 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
| O3 | C23 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | doub | 1.31Å | 1.30Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | N4 | C19 | 110.0° | 111.0° |
| C18 | N4 | C17 | 110.1° | 111.0° |
| N4 | C18 | H17 | 109.5° | 109.5° |
| N4 | C18 | H18 | 109.5° | 109.5° |
| N4 | C18 | H19 | 109.5° | 109.5° |
| C28 | O4 | C27 | 111.3° | 114.0° |
| O4 | C28 | C29 | 111.0° | 109.4° |
| O4 | C28 | H35 | 109.1° | 109.5° |
| O4 | C28 | H36 | 109.1° | 109.5° |
| O4 | C27 | C26 | 111.0° | 109.4° |
| O4 | C27 | H33 | 109.1° | 109.5° |
| O4 | C27 | H34 | 109.1° | 109.5° |
| C28 | C29 | C25 | 109.8° | 109.2° |
| C29 | C28 | H35 | 109.1° | 109.5° |
| C29 | C28 | H36 | 109.1° | 109.5° |
| C28 | C29 | H37 | 109.4° | 109.5° |
| C28 | C29 | H38 | 109.4° | 109.5° |
| N4 | C19 | C20 | 111.2° | 109.5° |
| C19 | N4 | C17 | 110.7° | 111.2° |
| N4 | C19 | H20 | 109.1° | 109.5° |
| N4 | C19 | H21 | 109.1° | 109.4° |
| C19 | C20 | C15 | 110.4° | 109.2° |
| C20 | C19 | H20 | 109.0° | 109.5° |
| C20 | C19 | H21 | 109.0° | 109.4° |
| C19 | C20 | H24 | 109.2° | 109.5° |
| C19 | C20 | H25 | 109.2° | 109.5° |
| C27 | C26 | C25 | 110.0° | 109.2° |
| C27 | C26 | H31 | 109.3° | 109.5° |
| C27 | C26 | H32 | 109.3° | 109.6° |
| C26 | C27 | H33 | 109.1° | 109.5° |
| C26 | C27 | H34 | 109.1° | 109.5° |
| N4 | C17 | C16 | 111.3° | 109.5° |
| N4 | C17 | H15 | 109.0° | 109.5° |
| N4 | C17 | H16 | 109.0° | 109.4° |
| C17 | C16 | C15 | 110.3° | 109.3° |
| C17 | C16 | H13 | 109.3° | 109.5° |
| C17 | C16 | H14 | 109.3° | 109.5° |
| C16 | C17 | H15 | 109.0° | 109.5° |
| C16 | C17 | H16 | 109.0° | 109.5° |
| C20 | C15 | C16 | 110.0° | 109.2° |
| C20 | C15 | N3 | 111.0° | 109.5° |
| C20 | C15 | H12 | 107.9° | 109.6° |
| C15 | C20 | H24 | 109.3° | 109.5° |
| C15 | C20 | H25 | 109.2° | 109.5° |
| C29 | C25 | C26 | 111.4° | 109.1° |
| C29 | C25 | N6 | 115.1° | 109.5° |
| C29 | C25 | H30 | 104.9° | 109.6° |
| C25 | C29 | H37 | 109.4° | 109.5° |
| C25 | C29 | H38 | 109.4° | 109.6° |
| C16 | C15 | N3 | 111.2° | 109.5° |
| C16 | C15 | H12 | 107.9° | 109.5° |
| C15 | C16 | H13 | 109.3° | 109.5° |
| C15 | C16 | H14 | 109.3° | 109.5° |
| C15 | N3 | C14 | 122.2° | 120.0° |
| C15 | N3 | H11 | 118.9° | 120.0° |
| N3 | C15 | H12 | 108.7° | 109.5° |
| C26 | C25 | N6 | 114.2° | 109.5° |
| C26 | C25 | H30 | 104.9° | 109.6° |
| C25 | C26 | H31 | 109.4° | 109.6° |
| C25 | C26 | H32 | 109.3° | 109.6° |
| O2 | C14 | N3 | 122.0° | 120.0° |
| O2 | C14 | C13 | 120.9° | 120.0° |
| C25 | N6 | C30 | 114.3° | 111.0° |
| C25 | N6 | C24 | 127.7° | 111.0° |
| N6 | C25 | H30 | 105.2° | 109.5° |
| N3 | C14 | C13 | 117.1° | 120.0° |
| C14 | N3 | H11 | 118.9° | 120.0° |
| C14 | C13 | C12 | 119.0° | 120.1° |
| C14 | C13 | C21 | 121.4° | 120.0° |
| C13 | C12 | C11 | 120.6° | 120.0° |
| C12 | C13 | C21 | 119.6° | 119.9° |
| C13 | C12 | H7 | 119.7° | 120.0° |
| C12 | C11 | C10 | 119.5° | 120.2° |
| C12 | C11 | H4 | 120.2° | 119.9° |
| C11 | C12 | H7 | 119.7° | 120.0° |
| N6 | C30 | C31 | 109.1° | 109.4° |
| N6 | C30 | C1 | 113.1° | 110.2° |
| C30 | N6 | C24 | 117.8° | 112.1° |
| N6 | C30 | H39 | 108.5° | 109.4° |
| C31 | C30 | C1 | 110.1° | 109.4° |
| C31 | C30 | H39 | 107.9° | 109.3° |
| C30 | C31 | H40 | 109.5° | 109.5° |
| C30 | C31 | H41 | 109.5° | 109.5° |
| C30 | C31 | H42 | 109.5° | 109.4° |
| C30 | C1 | O1 | 120.8° | 120.4° |
| C30 | C1 | N1 | 117.4° | 119.3° |
| C1 | C30 | H39 | 107.9° | 109.2° |
| N6 | C24 | N5 | 119.1° | 119.9° |
| N6 | C24 | C6 | 119.5° | 120.0° |
| C13 | C21 | C22 | 120.7° | 119.9° |
| C13 | C21 | H26 | 119.7° | 120.1° |
| C11 | C10 | C22 | 120.3° | 120.1° |
| C11 | C10 | N2 | 121.5° | 120.0° |
| C10 | C11 | H4 | 120.2° | 119.9° |
| O1 | C1 | N1 | 121.7° | 120.3° |
| C1 | N1 | C6 | 121.8° | 118.4° |
| C1 | N1 | C2 | 118.5° | 120.8° |
| N5 | C24 | C6 | 121.3° | 120.1° |
| C24 | N5 | C9 | 119.2° | 121.6° |
| C24 | C6 | N1 | 119.6° | 119.7° |
| C24 | C6 | C7 | 118.8° | 119.7° |
| C21 | C22 | C10 | 119.3° | 120.0° |
| C21 | C22 | O3 | 123.4° | 120.0° |
| C22 | C21 | H26 | 119.7° | 120.0° |
| N5 | C9 | N2 | 119.0° | 119.4° |
| N5 | C9 | C8 | 122.6° | 121.0° |
| C22 | C10 | N2 | 118.2° | 120.0° |
| C10 | C22 | O3 | 117.3° | 120.0° |
| C10 | N2 | C9 | 129.7° | 120.1° |
| C10 | N2 | H8 | 115.1° | 120.0° |
| C22 | O3 | C23 | 118.0° | 117.0° |
| C6 | N1 | C2 | 119.6° | 120.8° |
| N1 | C6 | C7 | 121.6° | 120.6° |
| N1 | C2 | C3 | 111.7° | 109.5° |
| N1 | C2 | H22 | 108.9° | 109.5° |
| N1 | C2 | H23 | 108.9° | 109.5° |
| C6 | C7 | C8 | 119.5° | 118.4° |
| C6 | C7 | H5 | 120.3° | 120.8° |
| N2 | C9 | C8 | 118.2° | 119.6° |
| C9 | N2 | H8 | 115.2° | 119.9° |
| C9 | C8 | C7 | 118.5° | 119.2° |
| C9 | C8 | H6 | 120.8° | 120.4° |
| O3 | C23 | H27 | 109.5° | 109.5° |
| O3 | C23 | H28 | 109.5° | 109.5° |
| O3 | C23 | H29 | 109.5° | 109.5° |
| C2 | C3 | C4 | 112.3° | 109.5° |
| C2 | C3 | H9 | 108.7° | 109.4° |
| C2 | C3 | H10 | 108.7° | 109.4° |
| C3 | C2 | H22 | 108.9° | 109.4° |
| C3 | C2 | H23 | 109.0° | 109.4° |
| C8 | C7 | H5 | 120.3° | 120.8° |
| C7 | C8 | H6 | 120.7° | 120.4° |
| C3 | C4 | C5 | 125.9° | 120.0° |
| C3 | C4 | H1 | 117.0° | 120.0° |
| C4 | C3 | H9 | 108.7° | 109.5° |
| C4 | C3 | H10 | 108.8° | 109.5° |
| C5 | C4 | H1 | 117.1° | 120.0° |
| C4 | C5 | H2 | 120.0° | 120.0° |
| C4 | C5 | H3 | 120.0° | 120.1° |
| H2 | C5 | H3 | 120.0° | 119.9° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.4° | 109.5° |
| H17 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.4° | 109.4° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.6° |
| H27 | C23 | H28 | 109.4° | 109.4° |
| H27 | C23 | H29 | 109.4° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H31 | C26 | H32 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.4° |
| H35 | C28 | H36 | 109.5° | 109.5° |
| H37 | C29 | H38 | 109.5° | 109.5° |
| H40 | C31 | H41 | 109.5° | 109.5° |
| H40 | C31 | H42 | 109.4° | 109.5° |
| H41 | C31 | H42 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | N4 | C19 | C17 | 121.9° | 124.0° |
| C18 | N4 | C19 | C20 | 179.1° | 174.2° |
| C18 | N4 | C17 | C16 | 179.0° | 174.2° |
| C18 | N4 | C17 | H15 | 60.7° | 54.2° |
| C18 | N4 | C17 | H16 | 58.8° | 65.8° |
| N4 | C18 | H17 | H18 | 120.0° | 120.0° |
| N4 | C18 | H17 | H19 | 120.0° | 120.0° |
| N4 | C18 | H18 | H19 | 120.0° | 120.0° |
| C18 | N4 | C19 | H20 | 58.8° | 65.8° |
| C18 | N4 | C19 | H21 | 60.7° | 54.2° |
| O4 | C28 | C29 | H35 | 120.2° | 120.0° |
| O4 | C28 | C29 | H36 | 120.2° | 120.0° |
| C28 | O4 | C27 | C26 | 62.5° | 61.2° |
| O4 | C28 | C29 | C25 | 56.3° | 57.6° |
| C28 | O4 | C27 | H33 | 177.3° | 58.8° |
| C28 | O4 | C27 | H34 | 57.8° | 178.8° |
| O4 | C28 | H35 | H36 | 119.3° | 120.1° |
| O4 | C28 | C29 | H37 | 176.3° | 62.3° |
| O4 | C28 | C29 | H38 | 63.7° | 177.6° |
| C27 | O4 | C28 | C29 | 62.8° | 61.2° |
| O4 | C27 | C26 | H33 | 120.2° | 120.0° |
| O4 | C27 | C26 | H34 | 120.2° | 120.0° |
| O4 | C27 | C26 | C25 | 55.7° | 57.6° |
| O4 | C27 | C26 | H31 | 64.4° | 177.5° |
| O4 | C27 | C26 | H32 | 175.8° | 62.4° |
| O4 | C27 | H33 | H34 | 119.3° | 120.0° |
| C27 | O4 | C28 | H35 | 57.4° | 178.9° |
| C27 | O4 | C28 | H36 | 176.9° | 58.8° |
| C28 | C29 | C25 | H37 | 120.0° | 119.9° |
| C28 | C29 | C25 | H38 | 120.0° | 120.0° |
| C28 | C29 | C25 | C26 | 50.8° | 57.0° |
| C28 | C29 | C25 | N6 | 177.2° | 176.9° |
| C28 | C29 | C25 | H30 | 62.1° | 63.0° |
| C29 | C28 | H35 | H36 | 119.3° | 120.0° |
| C28 | C29 | H37 | H38 | 119.9° | 120.1° |
| N4 | C19 | C20 | H20 | 120.3° | 120.1° |
| N4 | C19 | C20 | H21 | 120.3° | 119.9° |
| C19 | N4 | C17 | C16 | 59.1° | 61.8° |
| N4 | C19 | C20 | C15 | 57.1° | 59.2° |
| C19 | N4 | C17 | H15 | 61.1° | 178.2° |
| C19 | N4 | C17 | H16 | 179.4° | 58.2° |
| C19 | N4 | C18 | H17 | 180.0° | 60.1° |
| C19 | N4 | C18 | H18 | 60.0° | 180.0° |
| C19 | N4 | C18 | H19 | 60.0° | 59.9° |
| N4 | C19 | H20 | H21 | 119.2° | 119.9° |
| N4 | C19 | C20 | H24 | 63.0° | 179.1° |
| N4 | C19 | C20 | H25 | 177.2° | 60.7° |
| C20 | C19 | N4 | C17 | 59.0° | 61.8° |
| C19 | C20 | C15 | H24 | 120.2° | 119.9° |
| C19 | C20 | C15 | H25 | 120.1° | 119.9° |
| C19 | C20 | C15 | C16 | 54.8° | 57.7° |
| C19 | C20 | C15 | N3 | 178.2° | 177.6° |
| C19 | C20 | C15 | H12 | 62.8° | 62.2° |
| C20 | C19 | H20 | H21 | 119.2° | 120.0° |
| C19 | C20 | H24 | H25 | 119.6° | 120.1° |
| C27 | C26 | C25 | C29 | 50.6° | 57.0° |
| C27 | C26 | C25 | H31 | 120.1° | 119.9° |
| C27 | C26 | C25 | H32 | 120.1° | 120.0° |
| C27 | C26 | C25 | N6 | 177.0° | 176.9° |
| C27 | C26 | C25 | H30 | 62.4° | 63.0° |
| C27 | C26 | H31 | H32 | 119.8° | 120.2° |
| C26 | C27 | H33 | H34 | 119.3° | 120.0° |
| N4 | C17 | C16 | H15 | 120.3° | 120.0° |
| N4 | C17 | C16 | H16 | 120.3° | 120.0° |
| N4 | C17 | C16 | C15 | 57.2° | 59.2° |
| N4 | C17 | C16 | H13 | 177.3° | 60.8° |
| N4 | C17 | C16 | H14 | 62.9° | 179.1° |
| N4 | C17 | H15 | H16 | 119.2° | 120.0° |
| C17 | N4 | C18 | H17 | 57.7° | 175.8° |
| C17 | N4 | C18 | H18 | 62.2° | 55.8° |
| C17 | N4 | C18 | H19 | 177.7° | 64.2° |
| C17 | N4 | C19 | H20 | 179.3° | 58.3° |
| C17 | N4 | C19 | H21 | 61.2° | 178.2° |
| C17 | C16 | C15 | C20 | 54.8° | 57.7° |
| C17 | C16 | C15 | H13 | 120.1° | 119.9° |
| C17 | C16 | C15 | H14 | 120.1° | 120.0° |
| C17 | C16 | C15 | N3 | 178.1° | 177.6° |
| C17 | C16 | C15 | H12 | 62.8° | 62.3° |
| C17 | C16 | H13 | H14 | 119.6° | 120.1° |
| C16 | C17 | H15 | H16 | 119.2° | 120.0° |
| C20 | C15 | C16 | N3 | 123.4° | 119.9° |
| C20 | C15 | C16 | H12 | 117.6° | 120.0° |
| C20 | C15 | N3 | H12 | 118.6° | 120.2° |
| C20 | C15 | N3 | C14 | 126.2° | 85.3° |
| C20 | C15 | N3 | H11 | 53.8° | 94.7° |
| C20 | C15 | C16 | H13 | 174.9° | 62.3° |
| C20 | C15 | C16 | H14 | 65.3° | 177.6° |
| C15 | C20 | C19 | H20 | 177.4° | 60.9° |
| C15 | C20 | C19 | H21 | 63.2° | 179.2° |
| C15 | C20 | H24 | H25 | 119.6° | 120.1° |
| C29 | C25 | C26 | N6 | 132.4° | 119.9° |
| C29 | C25 | C26 | H30 | 112.9° | 119.9° |
| C29 | C25 | N6 | H30 | 114.9° | 120.2° |
| C29 | C25 | N6 | C30 | 120.8° | 168.8° |
| C29 | C25 | N6 | C24 | 63.9° | 65.9° |
| C29 | C25 | C26 | H31 | 69.5° | 176.8° |
| C29 | C25 | C26 | H32 | 170.7° | 63.1° |
| C25 | C29 | C28 | H35 | 63.9° | 177.6° |
| C25 | C29 | C28 | H36 | 176.5° | 62.4° |
| C25 | C29 | H37 | H38 | 119.9° | 120.2° |
| C16 | C15 | N3 | H12 | 118.6° | 120.1° |
| C16 | C15 | N3 | C14 | 111.0° | 155.0° |
| C16 | C15 | N3 | H11 | 69.0° | 25.0° |
| C15 | C16 | H13 | H14 | 119.6° | 120.1° |
| C15 | C16 | C17 | H15 | 63.1° | 179.2° |
| C15 | C16 | C17 | H16 | 177.5° | 60.8° |
| C16 | C15 | C20 | H24 | 65.4° | 177.6° |
| C16 | C15 | C20 | H25 | 174.9° | 62.2° |
| C15 | N3 | C14 | O2 | 20.6° | 0.0° |
| C15 | N3 | C14 | H11 | 180.0° | 179.9° |
| C15 | N3 | C14 | C13 | 159.3° | 180.0° |
| N3 | C15 | C16 | H13 | 61.7° | 57.6° |
| N3 | C15 | C16 | H14 | 58.0° | 62.5° |
| N3 | C15 | C20 | H24 | 58.1° | 62.5° |
| N3 | C15 | C20 | H25 | 61.6° | 57.7° |
| C26 | C25 | N6 | H30 | 114.4° | 120.2° |
| C26 | C25 | N6 | C30 | 108.6° | 71.6° |
| C26 | C25 | N6 | C24 | 66.8° | 53.7° |
| C25 | C26 | H31 | H32 | 119.7° | 120.2° |
| C25 | C26 | C27 | H33 | 175.9° | 62.4° |
| C25 | C26 | C27 | H34 | 64.5° | 177.6° |
| C26 | C25 | C29 | H37 | 170.8° | 62.9° |
| C26 | C25 | C29 | H38 | 69.2° | 176.9° |
| O2 | C14 | N3 | C13 | 179.9° | 180.0° |
| O2 | C14 | C13 | C12 | 15.1° | 180.0° |
| O2 | C14 | C13 | C21 | 164.5° | 0.1° |
| O2 | C14 | N3 | H11 | 159.4° | 180.0° |
| C25 | N6 | C30 | C24 | 175.8° | 124.7° |
| C25 | N6 | C30 | C31 | 91.1° | 46.5° |
| C25 | N6 | C30 | C1 | 146.0° | 73.7° |
| C25 | N6 | C24 | N5 | 20.6° | 90.8° |
| C25 | N6 | C24 | C6 | 162.3° | 88.5° |
| N6 | C25 | C26 | H31 | 62.9° | 63.3° |
| N6 | C25 | C26 | H32 | 56.9° | 56.9° |
| N6 | C25 | C29 | H37 | 57.2° | 57.0° |
| N6 | C25 | C29 | H38 | 62.7° | 63.2° |
| C25 | N6 | C30 | H39 | 26.3° | 166.3° |
| N3 | C14 | C13 | C12 | 164.8° | 0.0° |
| N3 | C14 | C13 | C21 | 15.6° | 179.9° |
| C14 | N3 | C15 | H12 | 7.6° | 34.8° |
| C14 | C13 | C12 | C21 | 179.6° | 180.0° |
| C14 | C13 | C12 | C11 | 179.8° | 180.0° |
| C14 | C13 | C21 | C22 | 179.6° | 179.7° |
| C14 | C13 | C12 | H7 | 0.2° | 0.0° |
| C13 | C14 | N3 | H11 | 20.7° | 0.0° |
| C14 | C13 | C21 | H26 | 0.4° | 0.1° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 1.1° | 0.0° |
| C12 | C13 | C21 | C22 | 0.1° | 0.3° |
| C13 | C12 | C11 | H4 | 178.9° | 179.7° |
| C12 | C13 | C21 | H26 | 180.0° | 180.0° |
| C11 | C12 | C13 | C21 | 0.6° | 0.0° |
| C12 | C11 | C10 | H4 | 180.0° | 179.7° |
| C12 | C11 | C10 | C22 | 1.1° | 0.3° |
| C12 | C11 | C10 | N2 | 179.9° | 179.7° |
| N6 | C30 | C31 | C1 | 124.7° | 120.7° |
| N6 | C30 | C31 | H39 | 117.7° | 119.8° |
| N6 | C30 | C1 | H39 | 120.1° | 120.1° |
| N6 | C30 | C1 | O1 | 153.1° | 145.2° |
| N6 | C30 | C1 | N1 | 30.3° | 34.9° |
| C30 | N6 | C24 | N5 | 154.6° | 144.4° |
| C30 | N6 | C24 | C6 | 22.5° | 36.2° |
| C30 | N6 | C25 | H30 | 5.9° | 48.6° |
| N6 | C30 | C31 | H40 | 180.0° | 53.2° |
| N6 | C30 | C31 | H41 | 60.0° | 173.3° |
| N6 | C30 | C31 | H42 | 60.0° | 66.8° |
| C31 | C30 | C1 | H39 | 117.5° | 119.6° |
| C31 | C30 | N6 | C24 | 84.7° | 171.3° |
| C31 | C30 | C1 | O1 | 84.5° | 25.0° |
| C31 | C30 | C1 | N1 | 92.1° | 155.2° |
| C30 | C31 | H40 | H41 | 120.0° | 120.1° |
| C30 | C31 | H40 | H42 | 120.0° | 120.0° |
| C30 | C31 | H41 | H42 | 120.0° | 119.9° |
| C1 | C30 | N6 | C24 | 38.2° | 51.0° |
| C30 | C1 | O1 | N1 | 176.4° | 179.9° |
| C30 | C1 | N1 | C6 | 6.9° | 0.9° |
| C30 | C1 | N1 | C2 | 175.1° | 179.2° |
| C1 | C30 | C31 | H40 | 55.3° | 173.9° |
| C1 | C30 | C31 | H41 | 64.7° | 66.0° |
| C1 | C30 | C31 | H42 | 175.3° | 53.9° |
| N6 | C24 | N5 | C6 | 177.0° | 179.3° |
| N6 | C24 | N5 | C9 | 180.0° | 179.5° |
| N6 | C24 | C6 | N1 | 2.7° | 0.9° |
| N6 | C24 | C6 | C7 | 178.1° | 179.5° |
| C24 | N6 | C25 | H30 | 178.8° | 173.9° |
| C24 | N6 | C30 | H39 | 157.9° | 69.0° |
| C13 | C21 | C22 | H26 | 180.0° | 179.7° |
| C13 | C21 | C22 | C10 | 0.1° | 0.6° |
| C13 | C21 | C22 | O3 | 179.6° | 179.9° |
| C21 | C13 | C12 | H7 | 179.4° | 179.9° |
| C11 | C10 | C22 | C21 | 0.6° | 0.6° |
| C11 | C10 | C22 | N2 | 179.0° | 180.0° |
| C11 | C10 | C22 | O3 | 179.2° | 179.9° |
| C11 | C10 | N2 | C9 | 0.2° | 24.4° |
| C10 | C11 | C12 | H7 | 178.9° | 179.9° |
| C11 | C10 | N2 | H8 | 179.8° | 155.6° |
| O1 | C1 | N1 | C6 | 176.6° | 179.2° |
| O1 | C1 | N1 | C2 | 1.4° | 0.7° |
| O1 | C1 | C30 | H39 | 33.1° | 94.6° |
| C1 | N1 | C6 | C24 | 10.6° | 17.7° |
| C1 | N1 | C6 | C2 | 177.9° | 180.0° |
| C1 | N1 | C6 | C7 | 170.2° | 162.0° |
| C1 | N1 | C2 | C3 | 77.5° | 90.0° |
| C1 | N1 | C2 | H22 | 42.9° | 30.0° |
| C1 | N1 | C2 | H23 | 162.2° | 150.1° |
| N1 | C1 | C30 | H39 | 150.4° | 85.2° |
| N5 | C24 | C6 | N1 | 179.7° | 179.8° |
| N5 | C24 | C6 | C7 | 1.0° | 0.1° |
| C24 | N5 | C9 | N2 | 179.0° | 179.9° |
| C24 | N5 | C9 | C8 | 4.6° | 0.1° |
| C6 | C24 | N5 | C9 | 3.0° | 0.1° |
| C24 | C6 | N1 | C7 | 179.2° | 179.7° |
| C24 | C6 | N1 | C2 | 167.4° | 162.3° |
| C24 | C6 | C7 | C8 | 0.7° | 0.1° |
| C24 | C6 | C7 | H5 | 179.3° | 179.9° |
| C21 | C22 | C10 | O3 | 179.7° | 179.5° |
| C21 | C22 | C10 | N2 | 179.6° | 179.5° |
| C21 | C22 | O3 | C23 | 3.8° | 0.5° |
| N5 | C9 | N2 | C10 | 46.8° | 6.1° |
| N5 | C9 | N2 | C8 | 174.6° | 180.0° |
| N5 | C9 | C8 | C7 | 4.2° | 0.0° |
| N5 | C9 | C8 | H6 | 175.8° | 179.9° |
| N5 | C9 | N2 | H8 | 133.2° | 173.9° |
| C22 | C10 | N2 | C9 | 179.3° | 155.5° |
| C10 | C22 | O3 | C23 | 175.9° | 180.0° |
| C22 | C10 | C11 | H4 | 178.9° | 180.0° |
| C22 | C10 | N2 | H8 | 0.8° | 24.5° |
| C10 | C22 | C21 | H26 | 180.0° | 179.8° |
| N2 | C10 | C22 | O3 | 0.1° | 0.0° |
| C10 | N2 | C9 | H8 | 180.0° | 180.0° |
| C10 | N2 | C9 | C8 | 138.6° | 173.8° |
| N2 | C10 | C11 | H4 | 0.1° | 0.0° |
| O3 | C22 | C21 | H26 | 0.4° | 0.3° |
| C22 | O3 | C23 | H27 | 180.0° | 179.9° |
| C22 | O3 | C23 | H28 | 60.0° | 60.0° |
| C22 | O3 | C23 | H29 | 60.0° | 60.0° |
| C6 | N1 | C2 | C3 | 104.5° | 90.0° |
| N1 | C6 | C7 | C8 | 179.9° | 179.7° |
| N1 | C6 | C7 | H5 | 0.1° | 0.2° |
| C6 | N1 | C2 | H22 | 135.2° | 150.1° |
| C6 | N1 | C2 | H23 | 15.8° | 30.0° |
| C2 | N1 | C6 | C7 | 11.8° | 18.1° |
| N1 | C2 | C3 | H22 | 120.3° | 120.0° |
| N1 | C2 | C3 | H23 | 120.3° | 120.0° |
| N1 | C2 | C3 | C4 | 178.5° | 180.0° |
| N1 | C2 | C3 | H9 | 58.1° | 60.0° |
| N1 | C2 | C3 | H10 | 61.1° | 60.0° |
| N1 | C2 | H22 | H23 | 119.0° | 120.1° |
| C6 | C7 | C8 | C9 | 2.1° | 0.0° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | H6 | 177.9° | 179.9° |
| N2 | C9 | C8 | C7 | 178.6° | 179.9° |
| N2 | C9 | C8 | H6 | 1.4° | 0.1° |
| C9 | C8 | C7 | H6 | 180.0° | 179.9° |
| C9 | C8 | C7 | H5 | 177.9° | 180.0° |
| C8 | C9 | N2 | H8 | 41.4° | 6.2° |
| O3 | C23 | H27 | H28 | 120.0° | 120.0° |
| O3 | C23 | H27 | H29 | 120.0° | 120.0° |
| O3 | C23 | H28 | H29 | 120.0° | 120.0° |
| C2 | C3 | C4 | H9 | 120.4° | 120.0° |
| C2 | C3 | C4 | H10 | 120.4° | 120.0° |
| C2 | C3 | C4 | C5 | 170.6° | 125.0° |
| C2 | C3 | C4 | H1 | 9.3° | 54.7° |
| C2 | C3 | H9 | H10 | 118.7° | 119.9° |
| C3 | C2 | H22 | H23 | 119.0° | 119.9° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | H2 | 180.0° | 0.3° |
| C3 | C4 | C5 | H3 | 0.0° | 179.8° |
| C4 | C3 | H9 | H10 | 118.7° | 120.0° |
| C4 | C3 | C2 | H22 | 61.2° | 60.0° |
| C4 | C3 | C2 | H23 | 58.2° | 60.0° |
| C4 | C5 | H2 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | H9 | 69.0° | 115.0° |
| C5 | C4 | C3 | H10 | 50.2° | 5.0° |
| H1 | C4 | C5 | H2 | 0.0° | 180.0° |
| H1 | C4 | C5 | H3 | 180.0° | 0.0° |
| H1 | C4 | C3 | H9 | 111.1° | 65.3° |
| H1 | C4 | C3 | H10 | 129.8° | 174.7° |
| H4 | C11 | C12 | H7 | 1.1° | 0.2° |
| H5 | C7 | C8 | H6 | 2.1° | 0.1° |
| H9 | C3 | C2 | H22 | 178.4° | 60.0° |
| H9 | C3 | C2 | H23 | 62.3° | 180.0° |
| H10 | C3 | C2 | H22 | 59.2° | 180.0° |
| H10 | C3 | C2 | H23 | 178.6° | 60.0° |
| H11 | N3 | C15 | H12 | 172.4° | 145.1° |
| H12 | C15 | C16 | H13 | 57.3° | 177.8° |
| H12 | C15 | C16 | H14 | 177.1° | 57.6° |
| H12 | C15 | C20 | H24 | 177.1° | 57.6° |
| H12 | C15 | C20 | H25 | 57.4° | 177.8° |
| H13 | C16 | C17 | H15 | 57.1° | 59.2° |
| H13 | C16 | C17 | H16 | 62.4° | 179.3° |
| H14 | C16 | C17 | H15 | 176.8° | 60.8° |
| H14 | C16 | C17 | H16 | 57.3° | 59.2° |
| H17 | C18 | H18 | H19 | 120.0° | 120.0° |
| H20 | C19 | C20 | H24 | 57.2° | 59.0° |
| H20 | C19 | C20 | H25 | 62.5° | 179.2° |
| H21 | C19 | C20 | H24 | 176.7° | 60.9° |
| H21 | C19 | C20 | H25 | 57.0° | 59.2° |
| H27 | C23 | H28 | H29 | 119.9° | 120.0° |
| H30 | C25 | C26 | H31 | 177.5° | 56.9° |
| H30 | C25 | C26 | H32 | 57.7° | 177.0° |
| H30 | C25 | C29 | H37 | 57.9° | 177.1° |
| H30 | C25 | C29 | H38 | 177.8° | 57.0° |
| H31 | C26 | C27 | H33 | 55.8° | 57.6° |
| H31 | C26 | C27 | H34 | 175.4° | 62.4° |
| H32 | C26 | C27 | H33 | 64.0° | 177.6° |
| H32 | C26 | C27 | H34 | 55.5° | 57.6° |
| H35 | C28 | C29 | H37 | 56.1° | 57.7° |
| H35 | C28 | C29 | H38 | 176.0° | 62.5° |
| H36 | C28 | C29 | H37 | 63.4° | 177.7° |
| H36 | C28 | C29 | H38 | 56.5° | 57.6° |
| H39 | C30 | C31 | H40 | 62.2° | 66.6° |
| H39 | C30 | C31 | H41 | 177.8° | 53.5° |
| H39 | C30 | C31 | H42 | 57.7° | 173.4° |
| H40 | C31 | H41 | H42 | 120.0° | 120.0° |
